Generated using Vanderbilt code, version 7 3 5 Author: unknown Generation date: 9 6 2004 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 3.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5S 5 0 2.00 10.00000000000 2.60000000000 -2.47490300184 5P 5 1 6.00 10.00000000000 2.00000000000 -1.37714143592 5D 5 2 0.00 10.00000000000 2.20000000000 -0.14837886205 6S 6 0 2.00 10.00000000000 2.60000000000 -0.23739477760 6P 6 1 0.00 10.00000000000 2.00000000000 -0.09137617534 0 Version Number Ba Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 10.00000000000 Z valence -90.05998828379 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 907 Number of points in mesh 5 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5S 0 2.00 5P 1 6.00 5D 2 0.00 6S 0 2.00 6P 1 0.00 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